[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate

C12H24O3Si — CID 90045688

IUPAC[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(C)(C)[Si](C)(C)O)CC1
InChIInChI=1S/C12H24O3Si/c1-9(2)10(13)15-12(7-8-12)11(3,4)16(5,6)14/h9,14H,7-8H2,1-6H3
InChIKeyIRRXTHJOUHLKPK-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.70
Rot. Bonds4

About [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate

[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate (PubChem CID 90045688) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate
PubChem CID90045688
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(C)(C)[Si](C)(C)O)CC1
InChIInChI=1S/C12H24O3Si/c1-9(2)10(13)15-12(7-8-12)11(3,4)16(5,6)14/h9,14H,7-8H2,1-6H3
InChIKeyIRRXTHJOUHLKPK-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1-tert-butylcyclopentyl) 2,3,3-trimethylbutanoate
CID 137432473
(2,2,5-trimethyl-1,3-dioxan-5-yl) 2-methylpropanoate
CID 175254873
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
[1-(3-methylpentan-3-yl)cyclopentyl] 2-methylbutanoate
CID 122644606
(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate
CID 71022077
CID 173197860
CID 173197860
[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
(2,2-dihydroxy-4-methyloxathiolan-4-yl) 2-methylpropanoate
CID 90002569
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342
tert-butyl 2-methylpropaneperoxoate
CID 160633746
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
(1-tert-butyl-4-hydroxy-4-methylcyclohexyl) carbamate
CID 66852935

Frequently Asked Questions

What is the IUPAC name of [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate?
The IUPAC name of [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate (CID 90045688) is [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate.
What is the SMILES notation for [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate?
The canonical SMILES for [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate is CC(C)C(=O)OC1(C(C)(C)[Si](C)(C)O)CC1.
What is the InChIKey of [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate?
The InChIKey is IRRXTHJOUHLKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(2)10(13)15-12(7-8-12)11(3,4)16(5,6)14/h9,14H,7-8H2,1-6H3.
What are the key properties of [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate?
[1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate has a molecular weight of 244.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[hydroxy(dimethyl)silyl]propan-2-yl]cyclopropyl] 2-methylpropanoate is sourced from PubChem (CID 90045688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).